[gmx-users] selecting residues which are within cutoff distances

TJ Piggot t.piggot at bristol.ac.uk
Thu Mar 13 16:55:53 CET 2008

I think g_dist with the option -dist will do what you want


--On Thursday, March 13, 2008 16:20:15 +0100 maria goranovic 
<mariagoranovic at gmail.com> wrote:

> Hello Folks,
> I have a protein trajectory to analyze. The goal is to find all residues
> within a 6 Angstrom radius of another residue, and list their names (for
> example) over a trajectory. How can one do this ? I tried using g_mdmat.
> However, the eps generated by using xps2pm does not really convey too
> much perhaps because of bad resolution ?
> Is there any other way ?
> Thank you in advance
> -Maria
> --
> Maria G.
> Technical University of Denmark
> Copenhagen

TJ Piggot
t.piggot at bristol.ac.uk
University of Bristol, UK.

More information about the gromacs.org_gmx-users mailing list